5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol

C19H24N6O — CID 169224900

IUPAC5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol
SMILESCc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)n3nc(C)cc23)c(O)c1
InChIInChI=1S/C19H24N6O/c1-12-6-7-15(17(26)9-12)18-16-10-13(2)23-25(16)19(22-21-18)20-14-5-4-8-24(3)11-14/h6-7,9-10,14,26H,4-5,8,11H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyHVKNCCGULDYLID-CQSZACIVSA-N
MW352.44 g/mol
LogP2.62
Rot. Bonds3

About 5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol

5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol (PubChem CID 169224900) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol.

Molecular Properties

Compound Name5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol
PubChem CID169224900
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol
SMILESCc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)n3nc(C)cc23)c(O)c1
InChIInChI=1S/C19H24N6O/c1-12-6-7-15(17(26)9-12)18-16-10-13(2)23-25(16)19(22-21-18)20-14-5-4-8-24(3)11-14/h6-7,9-10,14,26H,4-5,8,11H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyHVKNCCGULDYLID-CQSZACIVSA-N
XLogP2.62
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol?
The IUPAC name of 5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol (CID 169224900) is 5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol.
What is the SMILES notation for 5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol?
The canonical SMILES for 5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol is Cc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)n3nc(C)cc23)c(O)c1.
What is the InChIKey of 5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol?
The InChIKey is HVKNCCGULDYLID-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N6O/c1-12-6-7-15(17(26)9-12)18-16-10-13(2)23-25(16)19(22-21-18)20-14-5-4-8-24(3)11-14/h6-7,9-10,14,26H,4-5,8,11H2,1-3H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol?
5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol has a molecular weight of 352.44 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol is sourced from PubChem (CID 169224900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).